SCHEMBL7229748

SCHEMBL7229748

CN(C)CCCOc1cccc(I)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ ESR1 P03372 2/20 0.55
▸ CHRNB2 P17787 2/20 0.54
▸ CHRNA4 P43681 2/20 0.54
▸ LSS P48449 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ PDE1A P54750 1/20 0.49
▸ PDE1B Q01064 1/20 0.49
▸ PDE1C Q14123 1/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.49
▸ THRA P10827 1/20 0.48
▸ THRB P10828 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30721819 1.00 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2ESR1CHRNB2
SCHEMBL7222639 0.91 CHRNB2 (0.65) KDM4EALDH1A1SMN1; SMN2ESR1CHRNB2
SCHEMBL30628302 0.91 CHRNB2 (0.65) KDM4EALDH1A1SMN1; SMN2ESR1CHRNB2
SCHEMBL19553110 0.82 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2ESR1MAPT
SCHEMBL11983542 0.81 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2ESR1CHRNB2
SCHEMBL4187873 0.80 TSHR (0.54) SMN1; SMN2KMT2ATHRB
SCHEMBL22837826 0.79 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2ESR1CHRNB2
SCHEMBL1428483 0.79 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2ESR1CHRNB2
SCHEMBL188707 0.79 TSHR (0.63) KDM4EALDH1A1SMN1; SMN2ESR1CHRNB2
SCHEMBL2095959 0.79 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2ESR1CHRNB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 — — US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 — — US disclosed
CN-1333766-A Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds as factor xainhibitors AVENTIS PHARM PROD INC (US) 2002-01-30 — — CN disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 — — EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 KDM4E 1571/4885ALDH1A1 2804/4885SMN1; SMN2 2242/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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